SCHEMBL19670286

SCHEMBL19670286

O=C(Nc1cncc(F)c1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCCC21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.40
▸ MAP4K4 O95819 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ NTRK1 P04629 5/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PIM1 P11309 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17624478 1.00 TRPV3 (0.40) TRPV3MAP4K4DGAT2SCN10AEIF2AK4
SCHEMBL17624205 0.91 TRPV3 (0.39) TRPV3MAP4K4DGAT2SCN10AEIF2AK4
SCHEMBL19670614 0.91 TRPV3 (0.39) TRPV3MAP4K4DGAT2SCN10AEIF2AK4
SCHEMBL19670307 0.89 SCN10A (0.41) TRPV3MAP4K4SCN10ANTRK1
SCHEMBL17624600 0.89 SCN10A (0.41) TRPV3MAP4K4SCN10ANTRK1
SCHEMBL19669729 0.88 TRPV1 (0.40) TRPV3MAP4K4SCN10AEIF2AK4NAMPT
SCHEMBL17624532 0.88 TRPV1 (0.40) TRPV3MAP4K4SCN10AEIF2AK4NAMPT
SCHEMBL17624528 0.88 TRPV3 (0.40) TRPV3MAP4K4DGAT2SCN10AEIF2AK4
SCHEMBL19364856 0.88 TRPV3 (0.40) TRPV3MAP4K4DGAT2SCN10AEIF2AK4
SCHEMBL19670193 0.88 TRPV3 (0.40) TRPV3MAP4K4DGAT2SCN10AEIF2AK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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